smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C(c2ccc(O)c(OC)c2)[C@H](C)[C@H](C)CO)ccc1O 217013779 BVFKMONTRIVXBO-CHWSQXEVSA-N 346.423 3.511 70 40 EHIB biogenic,in-vitro Cc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 217020605 PLJSZRTXDQGYCG-UHFFFAOYSA-N 338.451 3.649 70 40 EHIB COc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1 216713727 DMGGFUAWXXCIHX-HXUWFJFHSA-N 347.418 3.707 70 40 EHIB CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC 217766408 SEBISSHCYUIROT-UHFFFAOYSA-N 333.428 3.952 70 40 EHIB CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(F)cc1 217916273 IMWKQVJCWVCAGK-RMKNXTFCSA-N 343.383 3.609 70 40 EHIB CN(C(=O)C(F)(F)F)c1ccccc1-c1cc2ccccc2oc1=O 216937708 HSLHKPYJZFOBBM-UHFFFAOYSA-N 347.292 3.985 70 40 EHIB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 218056158 GDCAAQGRQLVKTO-OAHLLOKOSA-N 329.465 3.925 70 40 EHIB COC(=O)c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1 216943168 IHGGLTJLXCHEFA-UHFFFAOYSA-N 336.343 3.854 70 40 EHIB O=C(NCC[C@@H](O)c1ccsc1)c1ccccc1C(F)(F)F 217531316 QDEOSJHCSNPSQA-CYBMUJFWSA-N 329.343 3.620 70 40 EHIB CCCOc1ccccc1CCCNC(=O)c1cccc(OC)c1 217938600 AHNQYYIBJSCAIV-UHFFFAOYSA-N 327.424 3.847 70 40 EHIB O=C(Nc1ccc(S(=O)(=O)F)c(Cl)c1)Oc1ccccc1 104130611 HPUSNYDLTAIWLW-UHFFFAOYSA-N 329.736 3.609 70 40 EHIB Cc1noc(-c2ccsc2NC(=O)CSCc2ccccc2)n1 217648879 HVPJXRKSSIPPRM-UHFFFAOYSA-N 345.449 3.978 70 40 EHIB COc1cccc(CCCNC(=O)CSCc2ccc(C)cc2)c1 218021110 YUPKKKZGQOCECZ-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 218056450 BNTLRJGSPBFTCI-CABCVRRESA-N 345.464 3.760 70 40 EHIB CSc1ccc(/C=C/C(=O)NC[C@](C)(O)c2cccs2)cc1 217581579 WAKJRNBFCPWGFU-JEJOPICUSA-N 333.478 3.507 70 40 EHIB CCN(CC)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 216885374 QJSSDQJIDLIRTI-UHFFFAOYSA-N 341.362 3.718 70 40 EHIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Br)cc1 217869072 GEIPSZKRKNIPIA-CYBMUJFWSA-N 348.240 3.955 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 218178143 CFBMJUZUPRDBMR-WDBUWWRISA-N 325.408 3.601 70 40 EHIB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 218684392 PEXBZSMLIMTZDX-MRXNPFEDSA-N 327.424 3.520 70 40 EHIB CC(F)(F)CO[Si](Cl)(OCC(C)(F)F)OCC(C)(F)F 1083812499 KOYFHNQYTBFGGW-UHFFFAOYSA-N 348.743 3.676 70 40 EHIB Cn1nc(CN(C(=O)c2cccs2)C2CCCC2)cc1C1CC1 217899383 ZTDUWGYWMAYTPI-UHFFFAOYSA-N 329.469 3.944 70 40 EHIB Cc1noc(-c2ccsc2NC(=O)CSc2ccc(F)cc2)n1 217649723 VHSFJYLSAYZZNN-UHFFFAOYSA-N 349.412 3.976 70 40 EHIB CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216768185 OMZGGTAUGFOCJN-NRFANRHFSA-N 348.450 3.733 70 40 EHIB CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(C)cc1 216823252 WOIHOLOCJRFBSN-UHFFFAOYSA-N 325.368 3.605 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 218056382 BNTLRJGSPBFTCI-LSDHHAIUSA-N 345.464 3.760 70 40 EHIB COc1ccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216713892 SLFSSWRXPXFSHD-FQEVSTJZSA-N 347.418 3.707 70 40 EHIB CCOc1ccc(CCCNC(=O)/C=C/c2ccc(OC)cc2)cc1 217918290 ZDVNGPTZZHAEFG-XNTDXEJSSA-N 339.435 3.856 70 40 EHIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccccc1F 216893770 ZQCIGHQNMMKMPL-VQHVLOKHSA-N 341.342 3.549 70 40 EHIB COc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217499376 RVEDQFQZVUXOSY-LJQANCHMSA-N 341.432 3.547 70 40 EHIB COc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(C)c1 218684284 MCIITWAFFVONEA-INIZCTEOSA-N 327.424 3.520 70 40 EHIB COc1ccccc1CCCNC(=O)c1ccc(Br)cc1 217868739 PIWZQLJKKPLOKV-UHFFFAOYSA-N 348.240 3.820 70 40 EHIB O=C(CCc1cccc(Cl)c1)NC[C@](O)(c1ccccc1)C1CC1 217578281 CUBYVYXPDYDLEF-FQEVSTJZSA-N 343.854 3.687 70 40 EHIB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@@H]1c1ccccc1F 217630326 ZYUSVBMYXFQIDB-MRXNPFEDSA-N 346.383 3.834 70 40 EHIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1sc(-n2cccc2)nc1C 217705269 AGGZBEZUXVTXQU-PBWFPOADSA-N 347.509 3.741 70 40 EHIB CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 217927391 ZLAHOUFAUAJONN-VQHVLOKHSA-N 339.391 3.532 70 40 EHIB Clc1ccccc1Cn1cc([C@H]2OCCN2c2ccccc2)nn1 216755265 AJHJIJVAOGBEAP-GOSISDBHSA-N 340.814 3.515 70 40 EHIB C/C(=C/c1cnn(Cc2ccccc2)c1)c1nc2sccc2c(=O)[nH]1 161456622 MSVQIOSJVHYKDX-LCYFTJDESA-N 348.431 3.790 70 40 EHIB C[C@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2s1 217521253 FWJWVCZUTZBKAP-INIZCTEOSA-N 332.450 3.992 70 40 EHIB C[C@@H](SCc1ccccc1)C(=O)NCCCN(C)c1ccccc1 218076010 IVSVQJKFVMHIAU-QGZVFWFLSA-N 342.508 3.951 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)CCSc2ccccc2)cc1 218080091 FCXPJOLJVNIWSX-HNNXBMFYSA-N 345.464 3.761 70 40 EHIB CC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@@H]3[C@@H]2C 217362453 YMPPYMYJLCYPBO-IEJJJXATSA-N 330.424 3.751 70 40 EHIB O=C(NCC1(c2ccsc2)CCCC1)c1ccc2c(c1)OCO2 217481094 YZOGFVPSKYZPOB-UHFFFAOYSA-N 329.421 3.719 70 40 EHIB O=S(=O)(Cl)c1cnc2ccc(Br)cc2c1Cl 252506570 WAKGLAZCBFSMKU-UHFFFAOYSA-N 341.013 3.578 70 40 EHIB Cc1ccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)cc1 216786871 OWYYHEFKQRUQHL-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB COc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccccc1 218055998 UOXHHNFHGYWBLQ-OAHLLOKOSA-N 329.465 3.925 70 40 EHIB CO[C@@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1Cl 159491061 LELSGFCZBZPRIQ-KRWDZBQOSA-N 332.831 3.524 70 40 EHIB COc1ccc([C@H]2SCCN2C(=O)NCc2cccs2)cc1 217629319 XGVOHWJGFJQCRC-OAHLLOKOSA-N 334.466 3.714 70 40 EHIB Cc1csc(C(=O)NCCn2nc(-c3cccs3)cc2C)c1 217874304 HGANSYJTWUOKLU-UHFFFAOYSA-N 331.466 3.720 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(F)c2)c1 216714645 YUXOBRQOXUEZPS-IBGZPJMESA-N 335.382 3.837 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 218693785 YMNDSGXQJOQHEI-KRWDZBQOSA-N 327.424 3.574 70 40 EHIB COc1ccc(OCCCC(=O)NCCCc2ccc(F)cc2)cc1 218739929 RAVIUOUUGIEROB-UHFFFAOYSA-N 345.414 3.742 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1 217975771 IHHYMCIWKGKJAP-OAHLLOKOSA-N 345.464 3.679 70 40 EHIB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccco4)C3)o2)cc1 216649923 YHBLGQYIAGAHTN-OAHLLOKOSA-N 337.379 3.658 70 40 EHIB C[C@H](CNC(=O)CC1CCN(C)CC1)Cc1cccc2ccccc12 216903970 XRVQKCOIBMLDOR-KRWDZBQOSA-N 338.495 3.867 70 40 EHIB COc1cccc(CCCNC(=O)CSCc2ccccc2C)c1 218014479 TZADIBCHADVWFH-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB O=C(Nc1ccccc1F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217817631 ZRMILADGKAIDFO-GFCCVEGCSA-N 344.390 3.573 70 40 EHIB C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 161351336 PYUXVIACMDWSGP-CQSZACIVSA-N 347.455 3.612 70 40 EHIB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 218674070 ZPGONXNJJZOYKX-AWEZNQCLSA-N 347.842 3.865 70 40 EHIB O=C(OCc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217816063 MQDBULLGWLPRHC-HNNXBMFYSA-N 341.411 3.538 70 40 EHIB CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)cc1C 217841866 OEJJLTKNTHESSM-LJQANCHMSA-N 327.424 3.958 70 40 EHIB Cc1ccc([C@H](NC(=O)CC2CCN(C)CC2)c2ccccc2)cc1 216902270 UJKXGIFSANAUJR-JOCHJYFZSA-N 336.479 3.933 70 40 EHIB C[C@@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2s1 217508384 PFRXXFLYQYQYPX-IPLHWJFFSA-N 327.405 3.531 70 40 EHIB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Cl)cc1 95682144 CRTUVOFOPIFTQS-UHFFFAOYSA-N 348.163 3.968 70 40 EHIB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccccc1C 216906538 NYQNZKYIGQQROC-CSKARUKUSA-N 337.379 3.718 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 217900011 UAPKBOQEWMVOPB-GMMCIKNFSA-N 345.826 3.946 70 40 EHIB O=C(Nc1ccccc1F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217817700 ZRMILADGKAIDFO-LBPRGKRZSA-N 344.390 3.573 70 40 EHIB COc1ccc(CCCNC(=O)CSCc2ccccc2)cc1 218008312 DRVGVPXGOUROGJ-UHFFFAOYSA-N 329.465 3.677 70 40 EHIB NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 218101107 QSKNJPYVYUNBAF-GHRIWEEISA-N 332.359 3.558 70 40 EHIB C=C[SiH](c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 195766846 SRGLEGBUNZRPMJ-UHFFFAOYSA-N 346.346 3.791 70 40 EHIB Cc1noc(C)c1CCC(=O)NCC1(c2ccsc2)CCCC1 217582394 WYOLUXQOIHBLLF-UHFFFAOYSA-N 332.469 3.914 70 40 EHIB C[C@@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2s1 217498228 ARFVJACHDXBOTF-GFOMBABLSA-N 327.405 3.531 70 40 EHIB Cc1ccccc1OCC(=O)NCCCc1cccc(OC(C)C)c1 217826091 LJXRPEIXZZLVSD-UHFFFAOYSA-N 341.451 3.910 70 40 EHIB COc1cc(CNC(=O)Cc2ccc(Cl)cc2)ccc1OC(C)C 218528217 WVSHAFVREJDOKC-UHFFFAOYSA-N 347.842 3.995 70 40 EHIB Cc1cccc([C@@H](NC(=O)CC2CCN(C)CC2)c2ccccc2)c1 216905005 ZVAGSKZFHFNHNI-QFIPXVFZSA-N 336.479 3.933 70 40 EHIB CC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C 217362610 YMPPYMYJLCYPBO-UPZUXNHUSA-N 330.424 3.751 70 40 EHIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 218673641 FKIYHJRROXOZBG-CYBMUJFWSA-N 335.806 3.995 70 40 EHIB Cn1nc(CN(C(=O)c2ccccc2F)C2CCCC2)c2c1CCC2 217908785 QCOXRXHBRYDLJU-UHFFFAOYSA-N 341.430 3.633 70 40 EHIB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1)CC(C)(C)O2 217822925 GUQZRHYSGLHZBQ-QGZVFWFLSA-N 325.408 3.792 70 40 EHIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218676086 XDVNCZUFONTVTJ-HUUCEWRRSA-N 347.842 3.999 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)CSc2ccc(C)cc2)cc1 217976858 FOURXGSIWMDWJT-MRXNPFEDSA-N 329.465 3.979 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2)cc1 218009784 HFITUDVLZGDEBK-INIZCTEOSA-N 329.465 3.812 70 40 EHIB COc1ccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218748991 ZIQNHUVSVUQWEP-CQSZACIVSA-N 347.842 3.865 70 40 EHIB O=C(Oc1ccc(S(=O)(=O)F)cc1Cl)c1ccc(Cl)cc1 104161811 APTWIILERQJIRQ-UHFFFAOYSA-N 349.166 3.871 70 40 EHIB COc1ccccc1CCCNC(=O)CCCOc1ccccc1 218725156 ZJFKOQPUELEFIG-UHFFFAOYSA-N 327.424 3.603 70 40 EHIB Cc1cccc([C@H](NC(=O)CC2CCN(C)CC2)c2ccccc2)c1 216905040 ZVAGSKZFHFNHNI-JOCHJYFZSA-N 336.479 3.933 70 40 EHIB CCOc1ccc(C(=O)n2c(C)c(C(=O)OC)c3ccccc32)cc1 216957792 LBKGNFHPDXAEIA-UHFFFAOYSA-N 337.375 3.824 70 40 EHIB C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2s1 217500675 OTAMESIXVGMCLZ-SFHVURJKSA-N 347.386 3.817 70 40 EHIB CCc1ccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)cc1 216787070 VERUOQALCXQGKA-UHFFFAOYSA-N 341.436 3.767 70 40 EHIB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1 217940285 FZPSIAVJVDCHHI-INIZCTEOSA-N 329.396 3.594 70 40 EHIB O=C(Nc1ccc(S(=O)(=O)F)cc1Cl)c1ccc(F)cc1F 95671371 VPNMPIBJWRASBM-UHFFFAOYSA-N 349.717 3.529 70 40 EHIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc(OC(C)C)c1 216956938 OAQINWJHZGKHGP-UHFFFAOYSA-N 336.391 3.524 70 40 EHIB Cc1cc(C)cc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1 216787339 IEOZEVGEPUUNAH-UHFFFAOYSA-N 341.436 3.821 70 40 EHIB C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2s1 217508472 PFRXXFLYQYQYPX-DKFQHHCZSA-N 327.405 3.531 70 40 EHIB COc1ccc(/C=C/C(=O)N[C@H](C)COc2ccccc2C)cc1 217918498 JEGFOJSPLOLBFW-QSOAKEGCSA-N 325.408 3.601 70 40 EHIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccco1 217877945 LWGMUKWOIIICMF-UHFFFAOYSA-N 327.409 3.512 70 40 EHIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(OC(C)C)cc1 216958072 ZIUCVTPMHTUVFS-UHFFFAOYSA-N 336.391 3.524 70 40 EHIB C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1 217499872 JADSURABKXWRFD-IBGZPJMESA-N 343.423 3.607 70 40 EHIB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 218536868 ZVWDALRUQMGNHZ-UHFFFAOYSA-N 335.407 3.636 70 40 EHIB O=S(=O)(Cc1ccccc1)N1CCCC[C@@H](c2ccccc2)C1 217288332 OZWWBNQCHDTCAC-LJQANCHMSA-N 329.465 3.786 70 40 EHIB COc1ccccc1OCC(=O)NCCCc1ccc(C(C)C)cc1 217948737 XLICPDHJUGNTLD-UHFFFAOYSA-N 341.451 3.946 70 40 EHIB COC(=O)c1cn(C(=O)COc2cccc(C)c2C)c2ccccc12 216724896 UGOMHGHFRNFNJL-UHFFFAOYSA-N 337.375 3.764 70 40 EHIB CCCCOc1ccc(S(=O)(=O)Cl)c(Br)c1 59108399 OSFIBMISCUMIEJ-UHFFFAOYSA-N 327.627 3.556 70 40 EHIB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1 218673715 FKIYHJRROXOZBG-ZDUSSCGKSA-N 335.806 3.995 70 40 EHIB CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(C)cc1C 217947910 COGHJBUQAAHKGF-KRWDZBQOSA-N 327.424 3.958 70 40 EHIB COc1ccccc1CCCNC(=O)CSCc1ccccc1 218008126 KTSUXJLGWCYWOE-UHFFFAOYSA-N 329.465 3.677 70 40 EHIB CC[C@@H](NC(=O)c1cccnc1N1CCCCC1)c1c(C)noc1C 160248802 AHHVHYJEUFQZDW-MRXNPFEDSA-N 342.443 3.558 70 40 EHIB Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 160403609 QBUPXOYNTIXSHO-GFCCVEGCSA-N 330.432 3.648 70 40 EHIB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1Cl 218698033 XMSQAWQHBOEYCS-ZDUSSCGKSA-N 335.806 3.995 70 40 EHIB CC[C@H](NC(=S)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217937801 QVNJJQXXOXKBNM-INIZCTEOSA-N 348.493 3.528 70 40 EHIB O=C(COc1ccc(F)cc1)NCC1(c2ccsc2)CCCC1 217481754 RSZKIHGUZCIUHT-UHFFFAOYSA-N 333.428 3.894 70 40 EHIB CN(CCCNC(=O)/C=C/c1ccccc1Cl)c1ccccc1 217903966 AFKWAZPBYDOUAY-OUKQBFOZSA-N 328.843 3.996 70 40 EHIB Cc1cccc(OCC(=O)Nc2ccc3nc(N)sc3c2)c1C 216786075 NPMXINIYSCTZSL-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB COc1cccc(CCCNC(=O)CCCOc2ccc(C)cc2)c1 218729863 KILKNINRUJSJRP-UHFFFAOYSA-N 341.451 3.912 70 40 EHIB CCOc1ccc(CNC(=O)CCc2ccccc2)cc1OCC 218170557 WMMXZKOUXXMYFT-UHFFFAOYSA-N 327.424 3.733 70 40 EHIB COC(=O)c1c(C)n(C(=O)COc2ccccc2F)c2ccccc12 218742335 FEHSJLNOSVMLON-UHFFFAOYSA-N 341.338 3.595 70 40 EHIB CCOc1ccc(CCCNC(=O)CSc2ccccc2)cc1 217971794 XKMZMTAZRLOPPX-UHFFFAOYSA-N 329.465 3.926 70 40 EHIB CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(C)c(C)c1 217947728 SAIXHBRIOUGIJZ-KRWDZBQOSA-N 327.424 3.958 70 40 EHIB CCCOc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 216958341 INUJQLQPKIDZPV-UHFFFAOYSA-N 336.391 3.526 70 40 EHIB CCCCOc1cccc(C(=O)n2cc(C(N)=O)c3ccccc32)c1 216957365 YEQWCHBHLMXLSA-UHFFFAOYSA-N 336.391 3.608 70 40 EHIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OC)CC(C)(C)O2 218168956 NHNFKZVRZNPPBV-INIZCTEOSA-N 341.407 3.736 70 40 EHIB Cc1noc(-c2ccsc2NC(=O)c2ccc3ncsc3c2)n1 217647315 BXURVMCRTWPUMK-UHFFFAOYSA-N 342.405 3.969 70 40 EHIB Cc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 218181466 ZIGDREHPTYQIFM-ZHACJKMWSA-N 333.391 3.683 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(F)cc2)c1 216713215 RVMGDUPDJVZLMK-LJQANCHMSA-N 335.382 3.837 70 40 EHIB C[C@@](O)(CNC(=O)c1csc(-c2ccccc2)n1)c1cccs1 217580328 HYEBHZMULDWJSD-QGZVFWFLSA-N 344.461 3.509 70 40 EHIB O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217808131 PVZAOJQNLLZSFR-LBPRGKRZSA-N 345.830 3.695 70 40 EHIB COc1cccc2cc(C(=O)N[C@@H](C)COc3ccccc3C)oc12 218616199 VTMCOGKOGTUQLR-AWEZNQCLSA-N 339.391 3.947 70 40 EHIB O=S(=O)(Cl)c1ccc(Cl)c(CBr)c1Cl 59304576 ZGYRSDUHWLVCRB-UHFFFAOYSA-N 338.437 3.816 70 40 EHIB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(F)cc3)n2)cc1 217914602 ZARCHTWSDILSPG-IZZDOVSWSA-N 337.354 3.514 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)CSc2ccc(C)cc2)cc1 217975857 IHHYMCIWKGKJAP-HNNXBMFYSA-N 345.464 3.679 70 40 EHIB COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 217939751 LZGYLUVNYFDKFR-KRWDZBQOSA-N 341.407 3.736 70 40 EHIB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(OC)c1 217885700 WMTBGJCEZFOSRN-RTGRKSDTSA-N 325.408 3.985 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 218686780 BEWGCEPHHNKHRZ-DLBZAZTESA-N 327.424 3.654 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2cccc(F)c2)c1 216714691 YUXOBRQOXUEZPS-LJQANCHMSA-N 335.382 3.837 70 40 EHIB C[C@@H](CNC(=O)CC1CCN(C)CC1)Cc1cccc2ccccc12 216903939 XRVQKCOIBMLDOR-QGZVFWFLSA-N 338.495 3.867 70 40 EHIB CN1CCC(CCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 216927450 KBYWOEUSWOFYJZ-JXMROGBWSA-N 328.500 3.845 70 40 EHIB Cc1ccc(/C=C/C(=O)NCCCN2CCCc3ccccc32)cc1 218183470 ATPXNMKFWSSNPR-BUHFOSPRSA-N 334.463 3.967 70 40 EHIB O=S(=O)(Cc1ccccc1)N1CCCC[C@H](c2ccccc2)C1 217288330 OZWWBNQCHDTCAC-IBGZPJMESA-N 329.465 3.786 70 40 EHIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc2ccccc2c1 216951145 PSTYUBUYYMEVOX-UHFFFAOYSA-N 328.371 3.890 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2F)c1 216713103 DNLGANYUJPCSPL-LJQANCHMSA-N 335.382 3.837 70 40 EHIB COc1ccc([C@H](CC(C)C)NC(=O)CC2CCN(C)CC2)cc1 216902184 FVTYOGSEGZGCSW-IBGZPJMESA-N 332.488 3.631 70 40 EHIB O=S(=O)(Oc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F 228958611 LCWFALSHDOUCOR-UHFFFAOYSA-N 328.617 3.587 70 40 EHIB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(F)cc1 217915406 ULIAMKMKRSRDKK-FMIVXFBMSA-N 337.354 3.548 70 40 EHIB COc1ccccc1CCCNC(=O)c1cc2cccc(OC)c2o1 218615050 ASSIGIMSLHMGFX-UHFFFAOYSA-N 339.391 3.813 70 40 EHIB CN1CCC(CCNC(=O)CCSc2ccc(Cl)cc2)CC1 216929509 BTRFNQYSSBBJBW-UHFFFAOYSA-N 340.920 3.670 70 40 EHIB CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)c(C)c1 217841779 OBEOIMLTKQDWAV-IBGZPJMESA-N 327.424 3.958 70 40 EHIB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 217844551 KLRWMAFYLDVPRP-QGZVFWFLSA-N 341.407 3.736 70 40 EHIB COc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OC(C)C 217882337 BGCWZYKXXSCFSX-ZRDIBKRKSA-N 325.408 3.812 70 40 EHIB O=C(NCCn1ccc(-c2ccsc2)n1)c1cc2ccccc2o1 217885727 IPGQWHDGMXBNPK-UHFFFAOYSA-N 337.404 3.788 70 40 EHIB CN1CCC(CC(=O)NCCCSc2ccc(Cl)cc2)CC1 216903025 MSJXGYCJTAOTSL-UHFFFAOYSA-N 340.920 3.670 70 40 EHIB C[C@](O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2o1 217994666 LDJKLEARQSCEIP-FQEVSTJZSA-N 341.382 3.528 70 40 EHIB CCCCc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 216850363 MLOCVFGYPWUFTG-UHFFFAOYSA-N 339.487 3.623 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 218686866 BEWGCEPHHNKHRZ-SJORKVTESA-N 327.424 3.654 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2)cc1 218009714 HFITUDVLZGDEBK-MRXNPFEDSA-N 329.465 3.812 70 40 EHIB O=S(=O)(Cl)c1ccc(Oc2ncccc2C(F)(F)F)cc1 100013340 FDAYBQVWHDJJOL-UHFFFAOYSA-N 337.706 3.820 70 40 EHIB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@H](C1)C(C)(C)C2=O 217573486 LIZFQRYYFHUXME-HKMRUAMVSA-N 329.415 3.889 70 40 EHIB CCCOc1cccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)c1 216956968 ZHGLZXAEOUKBHY-UHFFFAOYSA-N 336.391 3.526 70 40 EHIB Cc1ccc(CCC(=O)NCCCN2CCCc3ccccc32)cc1 218537697 RZHURNYYYFSTCR-UHFFFAOYSA-N 336.479 3.887 70 40 EHIB CC[C@H](NC(=O)CCc1ccccc1)c1ccc(OC)c(OC)c1 218173470 QRLOOHAJVKQMGF-KRWDZBQOSA-N 327.424 3.904 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 218721495 VAXUCCOQLMACEK-KRWDZBQOSA-N 327.424 3.574 70 40 EHIB CC(C)CCOc1ccc(S(=O)(=O)Cl)c(Br)c1 59108361 GWQVJVDFCBMENK-UHFFFAOYSA-N 341.654 3.802 70 40 EHIB O=C(OCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217815992 MQDBULLGWLPRHC-OAHLLOKOSA-N 341.411 3.538 70 40 EHIB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 218673991 ZPGONXNJJZOYKX-CQSZACIVSA-N 347.842 3.865 70 40 EHIB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 218700322 RDCXQYPROGGBPI-HNNXBMFYSA-N 345.414 3.741 70 40 EHIB O=C(c1ccc2nsnc2c1)N1CCS[C@H]1c1cccc(F)c1 217634644 XNMSMAQVDJLLMV-INIZCTEOSA-N 345.424 3.718 70 40 EHIB Cn1nc(CN(C(=O)c2cccs2)C2CCCC2)c2c1CCC2 217909929 UQZGZFYPWUEWIS-UHFFFAOYSA-N 329.469 3.555 70 40 EHIB COc1cccc(CCCNC(=O)CSCc2ccccc2)c1 218008235 AURYLHWIPXTFBY-UHFFFAOYSA-N 329.465 3.677 70 40 EHIB CCOc1ccc(CCCNC(=O)COc2ccc(C)c(C)c2)cc1 218721143 CMQALGSEPAZZLR-UHFFFAOYSA-N 341.451 3.830 70 40 EHIB C[C@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2s1 217521846 YQPHRYZVSDSWAD-KRWDZBQOSA-N 346.477 3.670 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2)cc1 218008501 SGLQHLABFSJRDI-HNNXBMFYSA-N 345.464 3.512 70 40 EHIB Clc1ccccc1Cn1cc([C@@H]2OCCN2c2ccccc2)nn1 216755217 AJHJIJVAOGBEAP-SFHVURJKSA-N 340.814 3.515 70 40 EHIB COc1cccc2cc(C(=O)N[C@H](C)COc3ccc(C)cc3)oc12 218616447 VJALYILHJGUDMY-CQSZACIVSA-N 339.391 3.947 70 40 EHIB COc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 217843300 KGARGFCTNBFAAP-UHFFFAOYSA-N 341.451 3.946 70 40 EHIB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 217844618 KLRWMAFYLDVPRP-KRWDZBQOSA-N 341.407 3.736 70 40 EHIB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)c1 218686627 VSAFRUPGASMYIY-SJORKVTESA-N 327.424 3.654 70 40 EHIB Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 218183111 QHDUBVAYDDYNPR-MDZDMXLPSA-N 339.420 3.778 70 40 EHIB COc1ccc(CCCNC(=O)CSCc2ccccc2C)cc1 218014604 YKJNYCNJWBTPOX-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB Cn1nc(CN(C(=O)/C=C/c2ccco2)C2CCCC2)cc1C1CC1 217898203 ZXBNXRCZXCOCPX-ZHACJKMWSA-N 339.439 3.875 70 40 EHIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1cccc(F)c1 216893827 UIKFGJCRUBCXJY-SOFGYWHQSA-N 341.342 3.549 70 40 EHIB O=C1CS[C@H](c2ccn(-c3cccc(F)c3)c2)N1Cc1ccco1 216677701 CBCZXVXDIMFKED-GOSISDBHSA-N 342.395 3.984 70 40 EHIB c1ccc(B2OC(c3ccccc3)(c3ccccc3)[C@H]3CCCN23)cc1 169975489 GXAMQZFEKIDKAP-JOCHJYFZSA-N 339.247 3.820 70 40 EHIB c1cc(NC2CCC3(CC2)OCCO3)cc(OCc2cscn2)c1 161164341 VWMHXOFTYFHAIA-UHFFFAOYSA-N 346.452 3.820 70 40 EHIB CCCCCOc1ccc(S(=O)(=O)Cl)c(Br)c1 59108396 HLEXGLMZMYLMCM-UHFFFAOYSA-N 341.654 3.946 70 40 EHIB COc1cc(CNC(=O)CCc2ccccc2)ccc1OC(C)C 218170662 IVOGBKXDUSWTCA-UHFFFAOYSA-N 327.424 3.731 70 40 EHIB COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 217939572 OJBKZAVTAMEGAG-KRWDZBQOSA-N 341.407 3.736 70 40 EHIB COc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218748940 ZIQNHUVSVUQWEP-AWEZNQCLSA-N 347.842 3.865 70 40 EHIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1Cl 217884062 NKBYFEHDXNYVNL-UHFFFAOYSA-N 331.828 3.695 70 40 EHIB Cc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)cc1 218067223 NIUKLURGACLONA-INIZCTEOSA-N 329.465 3.812 70 40 EHIB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 217845382 FTBRUCGFKIVGTK-INIZCTEOSA-N 329.396 3.594 70 40 EHIB O=S(=O)(c1cccc(-c2ccccc2)c1)N1[C@H]2C=CC[C@H]1CC2 218764209 RERVPNKYERWIGL-ROUUACIJSA-N 325.433 3.835 70 40 EHIB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 218700243 RDCXQYPROGGBPI-OAHLLOKOSA-N 345.414 3.741 70 40 EHIB Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1 160257920 YUWNELMMMSXLPJ-CYBMUJFWSA-N 335.411 3.533 70 40 EHIB O=C(Oc1ccc(S(=O)(=O)F)cc1Cl)c1ccccc1Cl 104161716 CSUKFNMHEFUCNC-UHFFFAOYSA-N 349.166 3.871 70 40 EHIB COc1cccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)c1 216713279 PJHAASXXOAWPMC-HXUWFJFHSA-N 347.418 3.707 70 40 EHIB O=C(CCCCc1ccccc1)Nc1cnn(CC2CCOCC2)c1 218232066 NAMOCAXJMWGYHI-UHFFFAOYSA-N 341.455 3.661 70 40 EHIB CN1C(=O)CS[C@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216706171 IYKXHYCQFUVMPS-AWEZNQCLSA-N 326.343 3.700 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)CCCOc2ccccc2)cc1 218726395 QMNKCHKIDBPDSS-KRWDZBQOSA-N 327.424 3.738 70 40 EHIB COc1ccc(CCC(=O)Nc2sccc2-c2nc(C)no2)cc1 217649304 QKINBXPQLMEKRT-UHFFFAOYSA-N 343.408 3.686 70 40 EHIB Cn1nc(CN(C(=O)Cc2cccs2)C2CCCC2)cc1C1CC1 217899213 QZSUMFUSTVDNGI-UHFFFAOYSA-N 343.496 3.873 70 40 EHIB CCCOc1ccccc1CCCNC(=O)COc1ccccc1C 217826602 LITWJSLSIJZKBD-UHFFFAOYSA-N 341.451 3.912 70 40 EHIB Cc1ccc([C@H]2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1 159738742 QIVYJYYRVSUHRT-CQSZACIVSA-N 340.301 3.611 70 40 EHIB COC(=O)c1ccc(C(=O)N2CCS[C@@H]2c2cccc(F)c2)cc1 217634364 PSAOTBJIMRVLQX-QGZVFWFLSA-N 345.395 3.500 70 40 EHIB COC(=O)c1ccc(C(=O)N2CCS[C@H]2c2cccc(F)c2)cc1 217634451 PSAOTBJIMRVLQX-KRWDZBQOSA-N 345.395 3.500 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 218693699 YMNDSGXQJOQHEI-QGZVFWFLSA-N 327.424 3.574 70 40 EHIB O=S(=O)(Cl)c1csc(-c2ccc(Br)cc2)n1 100606103 CZVFJQCMMUZTKX-UHFFFAOYSA-N 338.635 3.500 70 40 EHIB in-vitro COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1 218684216 MCIITWAFFVONEA-MRXNPFEDSA-N 327.424 3.520 70 40 EHIB O=C(NCC[C@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 217534057 XNZOFWCSOGDYTL-ZDUSSCGKSA-N 345.342 3.500 70 40 EHIB Cc1ccccc1OCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 217826342 NTXDGPNZLJKNAE-MRXNPFEDSA-N 325.408 3.792 70 40 EHIB COc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 217918601 URLPPDYUFXMDOS-OIQJVACTSA-N 325.408 3.601 70 40 EHIB C[C@H](SCc1ccccc1)C(=O)NCCCN(C)c1ccccc1 218076101 IVSVQJKFVMHIAU-KRWDZBQOSA-N 342.508 3.951 70 40 EHIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 218676232 XDVNCZUFONTVTJ-CABCVRRESA-N 347.842 3.999 70 40 EHIB O=C(NCc1cncc(-c2ccsc2)c1)c1cc(C2CC2)on1 217690927 CYTAVVRQCKPKRB-UHFFFAOYSA-N 325.393 3.606 70 40 EHIB CCOc1cccc(C(=O)n2c(C)c(C(=O)OC)c3ccccc32)c1 216956599 APGUARLBNMHRBE-UHFFFAOYSA-N 337.375 3.824 70 40 EHIB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1)CC(C)(C)O2 217822840 GUQZRHYSGLHZBQ-KRWDZBQOSA-N 325.408 3.792 70 40 EHIB C[C@@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2s1 217500597 OTAMESIXVGMCLZ-GOSISDBHSA-N 347.386 3.817 70 40 EHIB Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1 160258031 YUWNELMMMSXLPJ-ZDUSSCGKSA-N 335.411 3.533 70 40 EHIB COC(=O)c1c(C)n(C(=O)COc2ccc(C)cc2)c2ccccc12 216722614 NRHTZHZHQRIYBT-UHFFFAOYSA-N 337.375 3.764 70 40 EHIB COC(=O)c1c(C)n(C(=O)COc2ccccc2C)c2ccccc12 216722418 GSTKDZKQBMYIFZ-UHFFFAOYSA-N 337.375 3.764 70 40 EHIB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(F)cc1 216906714 XWZCLNZAPHASEB-WEVVVXLNSA-N 341.342 3.549 70 40 EHIB O=C(NCCSC1CCOCC1)c1cc2cc(F)ccc2s1 217704553 ARBFDXBBCHVYHY-UHFFFAOYSA-N 339.457 3.682 70 40 EHIB CCOc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2)cc1 218693402 FHCLEWMGXYABLJ-UHFFFAOYSA-N 341.451 3.830 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 218686941 BEWGCEPHHNKHRZ-IRXDYDNUSA-N 327.424 3.654 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccc(F)cc2)c1 216713172 RVMGDUPDJVZLMK-IBGZPJMESA-N 335.382 3.837 70 40 EHIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1 217823027 FUQMKNKLKWXTSO-KRWDZBQOSA-N 325.408 3.792 70 40 EHIB COc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217499467 RVEDQFQZVUXOSY-IBGZPJMESA-N 341.432 3.547 70 40 EHIB COc1cccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)c1 216713325 PJHAASXXOAWPMC-FQEVSTJZSA-N 347.418 3.707 70 40 EHIB CCSc1ccccc1C(=O)Nc1cnn(CC2CCOCC2)c1 218217995 ZHPSPIUOWLANTA-UHFFFAOYSA-N 345.468 3.674 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 218686718 BEWGCEPHHNKHRZ-IAGOWNOFSA-N 327.424 3.654 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 218178191 CFBMJUZUPRDBMR-OIQJVACTSA-N 325.408 3.601 70 40 EHIB N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Cl)cc1 95676940 SCSJREMEEIARHE-UHFFFAOYSA-N 328.176 3.931 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 218676570 BEIREXHKGBINOS-CABCVRRESA-N 347.842 3.999 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C)cc2)cc1 218533200 ZTMZAOYWBSJQPW-MRXNPFEDSA-N 327.424 3.520 70 40 EHIB COc1ccccc1/C=C/C(=O)N[C@@H](C)COc1ccc(C)cc1 217966434 WOGVJIPZTJSMBZ-ISBHARSQSA-N 325.408 3.601 70 40 EHIB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 218686550 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Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccco4)C3)o2)cc1 216649968 YHBLGQYIAGAHTN-HNNXBMFYSA-N 337.379 3.658 70 40 EHIB C[C@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2s1 217499047 SRUWFESMBNDQIN-SGWGQVFISA-N 337.444 3.938 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 217831284 TXVIAQWNIBGGKV-AWEZNQCLSA-N 333.815 3.611 70 40 EHIB CN1C(=O)CS[C@@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216705334 HSGSCWMHMUPFPE-CQSZACIVSA-N 326.343 3.700 70 40 EHIB C[C@](O)(CNC(=O)/C=C/c1ccco1)c1cc2ccccc2s1 217498294 ARFVJACHDXBOTF-BLGFXRMMSA-N 327.405 3.531 70 40 EHIB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 217844797 JONJEUAYXJFTSZ-KRWDZBQOSA-N 341.407 3.736 70 40 EHIB COc1ccc2cc(C(=O)N3[C@H]4CC[C@H]3CC(SC)C4)[nH]c2c1 217590346 UANVDOVHAXNLDZ-STQMWFEESA-N 330.453 3.675 70 40 EHIB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(C)cc1 216906583 FGBZOZMCEDGWSE-CSKARUKUSA-N 337.379 3.718 70 40 EHIB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1C 218170568 XEPRZLMVASJZII-HNNXBMFYSA-N 344.484 3.798 70 40 EHIB CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216768249 QNCQANZGQPHHHN-OAQYLSRUSA-N 348.450 3.733 70 40 EHIB CCOc1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1 217830916 LPSFZPYWWNOUOP-UHFFFAOYSA-N 347.842 3.867 70 40 EHIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(F)cc1 218755207 LVQJVXXNYYFGBJ-LJQANCHMSA-N 345.414 3.741 70 40 EHIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(F)cc1 218755260 LVQJVXXNYYFGBJ-IBGZPJMESA-N 345.414 3.741 70 40 EHIB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1 217940208 FZPSIAVJVDCHHI-MRXNPFEDSA-N 329.396 3.594 70 40 EHIB COc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218748842 VDADSZDVGHTFAC-AWEZNQCLSA-N 347.842 3.865 70 40 EHIB O=C(/C=C/c1ccccc1Cl)Nc1cnn(CC2CCOCC2)c1 218199088 FDIOUAZTSGROPU-AATRIKPKSA-N 345.830 3.615 70 40 EHIB CCCCc1nnc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)s1 217432695 BOKWSRPFRXTTLX-UHFFFAOYSA-N 346.387 3.927 70 40 EHIB F[Si](c1ccccc1)(c1ccccc1)c1cccc2ccccc12 195772704 NCWAGEXAOVUNDO-UHFFFAOYSA-N 328.462 3.776 70 40 EHIB C[C@](O)(CNC(=O)c1csc(-c2ccccc2)n1)c1cccs1 217580399 HYEBHZMULDWJSD-KRWDZBQOSA-N 344.461 3.509 70 40 EHIB FC(F)(F)C1(c2ccc(CI)cc2)N=N1 36452393 NXZFAVYPSDBXKJ-UHFFFAOYSA-N 326.059 3.803 70 40 EHIB CCN(CC)C(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 110166995 NKTZIOBKHMCENN-UHFFFAOYSA-N 340.832 3.641 70 40 EHIB CO[C@H](CNC(=O)c1cccc(N(C)C)c1)c1ccccc1Cl 159491194 LELSGFCZBZPRIQ-QGZVFWFLSA-N 332.831 3.524 70 40 EHIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 217704972 MRNRVSGLLQQWOK-YIONKMFJSA-N 345.443 3.714 70 40 EHIB Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217818402 CMECJLLXTNSVEY-AWEZNQCLSA-N 340.427 3.742 70 40 EHIB O=C(NCC[C@H](O)c1ccsc1)c1ccccc1C(F)(F)F 217531229 QDEOSJHCSNPSQA-ZDUSSCGKSA-N 329.343 3.620 70 40 EHIB Cn1cccc1[C@@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 217951464 SAYHOCWMOKNLNF-AWEZNQCLSA-N 342.226 3.577 70 40 EHIB Cc1cc(C)c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)c(C)c1 218117695 RBEMOXXUZFCNLN-MRXNPFEDSA-N 343.496 3.715 70 40 EHIB CN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 216706063 ZXLSDAMEXFFWCW-AWEZNQCLSA-N 326.343 3.700 70 40 EHIB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 218674162 WYBGCGPSGQFOJB-CQSZACIVSA-N 347.842 3.865 70 40 EHIB COc1cccc2cc(C(=O)N[C@@H](C)COc3ccc(C)cc3)oc12 218616378 VJALYILHJGUDMY-AWEZNQCLSA-N 339.391 3.947 70 40 EHIB COc1ccccc1/C=C/C(=O)N[C@H](C)COc1ccccc1C 217966328 DOXGQHMGAWCVNE-CJTWTEFWSA-N 325.408 3.601 70 40 EHIB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1C 218170647 XEPRZLMVASJZII-OAHLLOKOSA-N 344.484 3.798 70 40 EHIB COc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218748891 VDADSZDVGHTFAC-CQSZACIVSA-N 347.842 3.865 70 40 EHIB COc1ccccc1-n1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)c1 216713779 DMGGFUAWXXCIHX-FQEVSTJZSA-N 347.418 3.707 70 40 EHIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccoc1 217880169 WXONCQIEJNNLBT-UHFFFAOYSA-N 327.409 3.512 70 40 EHIB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 217939677 LZGYLUVNYFDKFR-QGZVFWFLSA-N 341.407 3.736 70 40 EHIB Cc1cc(C)cc(OCC(=O)Nc2ccc3nc(N)sc3c2)c1 216786260 KQJSDQJSGDFLHX-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB Cc1ccccc1CSCC(=O)NCCCN(C)c1ccccc1 218020132 QHDBHCJMBWEVGH-UHFFFAOYSA-N 342.508 3.871 70 40 EHIB C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 218061809 OYYHQYJEHDNCSU-CYBMUJFWSA-N 339.420 3.534 70 40 EHIB CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OCC)cc12 217760547 GZOOAMUTBVXFDV-UHFFFAOYSA-N 338.407 3.968 70 40 EHIB CCOc1ccc(CNC(=O)/C=C/c2ccccc2)cc1OCC 217882233 MRBVSNZICPHXOJ-ACCUITESSA-N 325.408 3.814 70 40 EHIB COc1cccc(CCCNC(=O)CSc2ccc(C)cc2)c1 217975598 FQUZXMUYHVCXRM-UHFFFAOYSA-N 329.465 3.845 70 40 EHIB Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 218182345 AGTOZTBFHOXXBI-OUKQBFOZSA-N 333.391 3.717 70 40 EHIB CCCOc1cccc(C(=O)n2cc(C(=O)OC)c3ccccc32)c1 216957127 TVYPARDZXYQHNP-UHFFFAOYSA-N 337.375 3.905 70 40 EHIB Cc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217498022 VVFAZWZKANWQSH-IBGZPJMESA-N 325.433 3.847 70 40 EHIB Cc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)s1 217483500 XPPUKEIJGRUFBA-UHFFFAOYSA-N 341.523 3.908 70 40 EHIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc(Cl)s1 217888189 UFSQLAAYHXQXOA-UHFFFAOYSA-N 337.857 3.757 70 40 EHIB Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccccc1 218009601 LLJYHHRFDBZORS-INIZCTEOSA-N 329.465 3.812 70 40 EHIB Cc1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)c(C)c1 216786136 TZVDLHXTULHNET-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB C[C@@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2s1 217521774 YQPHRYZVSDSWAD-QGZVFWFLSA-N 346.477 3.670 70 40 EHIB CN1CCC(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 216900427 GGOIJLUAVCRJMD-UHFFFAOYSA-N 336.435 3.588 70 40 EHIB COc1cc(NC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc(OC)c1 217716879 PWGBXVMPEQSESV-STQMWFEESA-N 336.457 3.594 70 40 EHIB CON(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C 160190608 JDFVIHUEHQWGMI-UHFFFAOYSA-N 338.367 3.641 70 40 EHIB C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 161142374 BSDGIYBDHXKABB-UHOSZYNNSA-N 346.515 3.768 70 40 EHIB O=C(CSc1ccc(F)cc1)NC[C@@H]1CCCN1c1ccccc1 217815479 HFXPFAAJPJOLJV-KRWDZBQOSA-N 344.455 3.703 70 40 EHIB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 217845318 FTBRUCGFKIVGTK-MRXNPFEDSA-N 329.396 3.594 70 40 EHIB CCOc1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1OCC 217910505 UTRQCXAWSCYEST-XYOKQWHBSA-N 343.398 3.953 70 40 EHIB Cn1cccc1[C@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 217951384 SAYHOCWMOKNLNF-CQSZACIVSA-N 342.226 3.577 70 40 EHIB COc1cc(C(F)(F)F)cc(C(F)(F)F)c1S(=O)(=O)Cl 103626031 HUKBHYNFGQCVFX-UHFFFAOYSA-N 342.644 3.660 70 40 EHIB Clc1ccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)cc1 216755495 XECIEJCZFDGTPT-GOSISDBHSA-N 340.814 3.515 70 40 EHIB CC(C)(C)C(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 110167037 LTADPSVDYCOALD-UHFFFAOYSA-N 325.817 3.752 70 40 EHIB CCOc1ccc(CCCNC(=O)COc2ccccc2C)cc1 217826517 JVAZWCSXRVQJJO-UHFFFAOYSA-N 327.424 3.522 70 40 EHIB COc1cccc2cc(C(=O)N[C@H](C)COc3ccccc3C)oc12 218616280 VTMCOGKOGTUQLR-CQSZACIVSA-N 339.391 3.947 70 40 EHIB Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccccc1 218009533 LLJYHHRFDBZORS-MRXNPFEDSA-N 329.465 3.812 70 40 EHIB CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cccc2c1N=S=N2 159717114 SJJQGOCSPOMDSP-ZDUSSCGKSA-N 348.453 3.580 70 40 EHIB Clc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1 216755380 FEVMOVCBJBAQFC-GOSISDBHSA-N 340.814 3.515 70 40 EHIB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(Cl)cc1 218698107 GUHICWZHRISYQN-CYBMUJFWSA-N 335.806 3.995 70 40 EHIB O=S(=O)(Cl)c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 100014100 HUFXZLMOGAFOEI-UHFFFAOYSA-N 337.706 3.820 70 40 EHIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218676166 XDVNCZUFONTVTJ-LSDHHAIUSA-N 347.842 3.999 70 40 EHIB Cc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 218067142 NIUKLURGACLONA-MRXNPFEDSA-N 329.465 3.812 70 40 EHIB Clc1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1 216755445 XECIEJCZFDGTPT-SFHVURJKSA-N 340.814 3.515 70 40 EHIB CN1CCC(CC(=O)Nc2ccc(Br)c(Cl)c2)CC1 216895535 QNTFPNCPCMNWSP-UHFFFAOYSA-N 345.668 3.773 70 40 EHIB C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1 217499781 JADSURABKXWRFD-LJQANCHMSA-N 343.423 3.607 70 40 EHIB CO[C@@H](CNC(=O)NCCCc1ccccc1)c1ccccc1Cl 218355231 HJSVGCLYWBMDOG-SFHVURJKSA-N 346.858 3.960 70 40 EHIB CN1CCC(CCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 216926647 DOBSSOUDMCTVSZ-HWKANZROSA-N 341.282 3.855 70 40 EHIB C[C@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 217986116 WAQMKTNOWYFOQH-INIZCTEOSA-N 335.812 3.785 70 40 EHIB C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2s1 217500767 GHURXTHRWYYPAC-GOSISDBHSA-N 347.386 3.817 70 40 EHIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1 217823089 FUQMKNKLKWXTSO-QGZVFWFLSA-N 325.408 3.792 70 40 EHIB COc1ccccc1/C=C/C(=O)NCc1cccc(OC(C)C)c1 217964323 FVKMYKXSRLRXDH-VAWYXSNFSA-N 325.408 3.812 70 40 EHIB O=C(NCC1(c2ccsc2)CCCC1)c1ccc2nsnc2c1 217481960 OKQWNYJUZURPDO-UHFFFAOYSA-N 343.477 3.995 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)CSc2ccc(C)cc2)cc1 217976923 FOURXGSIWMDWJT-INIZCTEOSA-N 329.465 3.979 70 40 EHIB Cc1ccc(C)c(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1 216787269 DUPKSLYTYKBFLG-UHFFFAOYSA-N 341.436 3.821 70 40 EHIB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(OC)c(OC)c1 218169697 XSHOBJRATATWEX-OAHLLOKOSA-N 329.396 3.594 70 40 EHIB Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccco4)CC3)o2)cc1 216633360 MYTQLQZXYSUSEN-UHFFFAOYSA-N 337.379 3.658 70 40 EHIB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccc(Cl)cc1 218698195 GUHICWZHRISYQN-ZDUSSCGKSA-N 335.806 3.995 70 40 EHIB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccccc1F 216906896 UBZNQTUIAUGCOH-VQHVLOKHSA-N 341.342 3.549 70 40 EHIB Cc1ccc([C@@H]2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1 159738604 QIVYJYYRVSUHRT-AWEZNQCLSA-N 340.301 3.611 70 40 EHIB CCCc1nnsc1C(=O)N1CCS[C@@H]1c1ccccc1F 217629725 CDYGLJYYXHDJRL-OAHLLOKOSA-N 337.445 3.518 70 40 EHIB CC[C@H](NC(=O)c1cccnc1N1CCCCC1)c1c(C)noc1C 160248690 AHHVHYJEUFQZDW-INIZCTEOSA-N 342.443 3.558 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 217958339 DPAWBIFHXYQTJT-IMBBRHANSA-N 345.826 3.946 70 40 EHIB O=C1CS[C@H](c2ccn(-c3ccc(F)cc3)c2)N1Cc1ccco1 216676267 GQRLGQWPWOANMJ-GOSISDBHSA-N 342.395 3.984 70 40 EHIB COCCCn1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)n1 160586967 UETONSTUPRGEJK-CABCVRRESA-N 346.431 3.518 70 40 EHIB COc1ccc(CCCNC(=O)CCSc2ccccc2)cc1 218079912 ZONLIXGUUAFDQR-UHFFFAOYSA-N 329.465 3.926 70 40 EHIB COc1ccc(/C=C/C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 217918679 URLPPDYUFXMDOS-WDBUWWRISA-N 325.408 3.601 70 40 EHIB O=C1CS[C@@H](c2ccn(-c3cccc(F)c3)c2)N1Cc1ccco1 216677664 CBCZXVXDIMFKED-SFHVURJKSA-N 342.395 3.984 70 40 EHIB Cc1cc(C)c(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)c(C)c1 218117629 RBEMOXXUZFCNLN-INIZCTEOSA-N 343.496 3.715 70 40 EHIB C[C@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 218061885 OYYHQYJEHDNCSU-ZDUSSCGKSA-N 339.420 3.534 70 40 EHIB CN(CCCNC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 217963426 ANOBEFSEKKPBRW-JLHYYAGUSA-N 328.843 3.996 70 40 EHIB O=C(NCCCN1CCCc2ccccc21)c1ccccc1Cl 217849058 ASKICWHMEHSXEK-UHFFFAOYSA-N 328.843 3.913 70 40 EHIB ClCCCO[Si](Cl)(OCCCCl)OCCCCl 1083812478 HMHJYDWDBSTUMT-UHFFFAOYSA-N 344.138 3.597 70 40 EHIB CC(C)c1ccc(OCC(=O)n2cc(C(N)=O)c3ccccc32)cc1 216724498 KSLWCKPVLXWMCJ-UHFFFAOYSA-N 336.391 3.583 70 40 EHIB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 218673821 ABOHHCGOXOQTMR-CQSZACIVSA-N 347.842 3.865 70 40 EHIB CCN(Cc1nnc(-c2ccccc2OC)o1)c1ccc(F)cc1 159449760 JLWJHVGOAPBNIK-UHFFFAOYSA-N 327.359 3.911 70 40 EHIB Cc1nc(-c2ccccc2NC(=O)c2c(C)nn(C)c2C)cs1 218600302 JGBQZKUSOUSDFC-UHFFFAOYSA-N 326.425 3.721 70 40 EHIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2F)c1 216713057 DNLGANYUJPCSPL-IBGZPJMESA-N 335.382 3.837 70 40 EHIB C[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12 196122118 DHFMFICBVHCWGQ-UHFFFAOYSA-N 348.418 3.613 70 40 EHIB in-vitro Cc1ccc(SCCC(=O)NCCN(C)c2ccccc2)cc1 218147949 SGDMVBOOBWHSNC-UHFFFAOYSA-N 328.481 3.730 70 40 EHIB O=C(CSc1ccc(F)cc1)NC[C@H]1CCCN1c1ccccc1 217815387 HFXPFAAJPJOLJV-QGZVFWFLSA-N 344.455 3.703 70 40 EHIB CCOc1ccc(CCCNC(=O)CCCOc2ccccc2)cc1 218726040 TVPVAKHWRNOCBS-UHFFFAOYSA-N 341.451 3.993 70 40 EHIB O=S(=O)(Oc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 148379937 VLNGIOFBRZRQJI-UHFFFAOYSA-N 328.617 3.587 70 40 EHIB COc1ccc(/C=C/C(=O)NCCCc2ccc(F)cc2)cc1OC 217922951 RHSHEGDUEWUWDA-XYOKQWHBSA-N 343.398 3.605 70 40 EHIB COc1cccc(CCCNC(=O)CCSc2ccccc2)c1 218079822 QMAKZKIRDKNZRL-UHFFFAOYSA-N 329.465 3.926 70 40 EHIB Cc1ccccc1-c1nnc(C2CCN(C(=O)c3ccco3)CC2)o1 216632167 HXDGYOABBLMVTO-UHFFFAOYSA-N 337.379 3.658 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 218056528 BNTLRJGSPBFTCI-GJZGRUSLSA-N 345.464 3.760 70 40 EHIB CSc1ccccc1C(=O)NCCn1ccc(-c2ccsc2)n1 217885948 UKMUMBYAVYGEJO-UHFFFAOYSA-N 343.477 3.764 70 40 EHIB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@H](C1)C(C)(C)C2=O 217573568 LIZFQRYYFHUXME-ZGLRSVDFSA-N 329.415 3.889 70 40 EHIB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 218673889 ABOHHCGOXOQTMR-AWEZNQCLSA-N 347.842 3.865 70 40 EHIB C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC2CCOCC2)cc1 161142610 BSDGIYBDHXKABB-WDSOQIARSA-N 346.515 3.768 70 40 EHIB COCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)n1 160587102 UETONSTUPRGEJK-GJZGRUSLSA-N 346.431 3.518 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 217831210 TXVIAQWNIBGGKV-CQSZACIVSA-N 333.815 3.611 70 40 EHIB O=C(/C=C/c1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 217962078 IUZVMIQHTXYJIL-VMPITWQZSA-N 345.811 3.781 70 40 EHIB Cc1cc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)c(C)o1 217498476 LBSOIQISIYPXMO-GOSISDBHSA-N 329.421 3.749 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 218676492 BEIREXHKGBINOS-LSDHHAIUSA-N 347.842 3.999 70 40 EHIB O=C(NCCCN1CCCc2ccccc21)c1cccc(Cl)c1 217854603 RRVMQLFYNOJTOF-UHFFFAOYSA-N 328.843 3.913 70 40 EHIB Cn1nc(CN(C(=O)c2ccsc2)C2CCCC2)cc1C1CC1 217900052 HFEIPYSFOGRAGD-UHFFFAOYSA-N 329.469 3.944 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 217958412 DPAWBIFHXYQTJT-CLUXPMKYSA-N 345.826 3.946 70 40 EHIB COc1ccc(CCCNC(=O)CCCOc2ccc(C)cc2)cc1 218729928 QSSPTGNYOHKRTE-UHFFFAOYSA-N 341.451 3.912 70 40 EHIB CCOC(=O)c1c(C)n(CCOC)c2ccc(OCC(C)C)cc12 217765573 ILCXWXWZKZFSEB-UHFFFAOYSA-N 333.428 3.808 70 40 EHIB O[C@@]12C[C@H]3C[C@@H](C1)C[C@](NCc1ccc(Br)cc1)(C3)C2 217970859 VXVDFVYPRDAVHR-ULAZLLGUSA-N 336.273 3.622 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 218676398 BEIREXHKGBINOS-HUUCEWRRSA-N 347.842 3.999 70 40 EHIB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCc1ccccc1Cl 217927839 UREFNEQOACULHP-CSKARUKUSA-N 343.810 3.831 70 40 EHIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 218676307 XDVNCZUFONTVTJ-GJZGRUSLSA-N 347.842 3.999 70 40 EHIB Cc1ccc(NC(=O)Nc2cnn(CC3CCOCC3)c2)cc1C 218235582 WIXIHXUDBPXODL-UHFFFAOYSA-N 328.416 3.571 70 40 EHIB CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)cc1 216768076 QLOHRELUZKUJGG-NRFANRHFSA-N 348.450 3.733 70 40 EHIB CC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C 217362529 YMPPYMYJLCYPBO-KYIKJMKESA-N 330.424 3.751 70 40 EHIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OC 218169153 DXHVQAVWKPTFDQ-INIZCTEOSA-N 341.407 3.736 70 40 EHIB Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 218181591 RQSVLXUHJFNZPH-FMIVXFBMSA-N 333.391 3.683 70 40 EHIB Cn1nc(CN(C(=O)Nc2ccccc2)C2CCCC2)c2c1CCC2 217911742 USBYSPWDMLCKRV-UHFFFAOYSA-N 338.455 3.886 70 40 EHIB COc1ccccc1C1(CNC2CCC(NC(C)=O)CC2)CCCC1 161346448 AOZXCSWLVIKBLK-UHFFFAOYSA-N 344.499 3.544 70 40 EHIB CCOc1cc(C)c2cc(S(=O)(=O)Cc3ccccc3)ccc2n1 217428953 ZOJZJUBSLONMQC-UHFFFAOYSA-N 341.432 3.916 70 40 EHIB COc1ccccc1OCC(=O)NCC1(c2ccsc2)CCCC1 217482082 FCJKSOABGGYMRP-UHFFFAOYSA-N 345.464 3.764 70 40 EHIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc2ccccc12 216950904 DPNCRPZOCPTBAO-UHFFFAOYSA-N 328.371 3.890 70 40 EHIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(Cl)s1 218117444 YCDKKBSQDGJYIA-JTQLQIEISA-N 341.889 3.504 70 40 EHIB O=C(CCc1cccc(Cl)c1)NC[C@@](O)(c1ccccc1)C1CC1 217578369 CUBYVYXPDYDLEF-HXUWFJFHSA-N 343.854 3.687 70 40 EHIB CN1CCC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 216892459 ZUDPORLJNUQZLD-UHFFFAOYSA-N 336.479 3.947 70 40 EHIB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 218686211 NCLIVWHABXWGOQ-KRWDZBQOSA-N 341.451 3.910 70 40 EHIB CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216768142 OMZGGTAUGFOCJN-OAQYLSRUSA-N 348.450 3.733 70 40 EHIB Cc1ccccc1OCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 217826423 NTXDGPNZLJKNAE-INIZCTEOSA-N 325.408 3.792 70 40 EHIB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 217939481 OJBKZAVTAMEGAG-QGZVFWFLSA-N 341.407 3.736 70 40 EHIB CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2cccs2)cc1 217581490 WAKJRNBFCPWGFU-PYUISTEWSA-N 333.478 3.507 70 40 EHIB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(OC)c1 217885616 WMTBGJCEZFOSRN-JIIJFUIFSA-N 325.408 3.985 70 40 EHIB C[C@@](O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2o1 217994575 LDJKLEARQSCEIP-HXUWFJFHSA-N 341.382 3.528 70 40 EHIB Cc1ccc(SCC(=O)N[C@@H](C)COc2ccccc2C)cc1 217976745 DUVXIPBGLFUOBJ-INIZCTEOSA-N 329.465 3.979 70 40 EHIB COc1ccccc1CCCNC(=O)CCSc1ccccc1 218079709 GIKZVDIKNMNYLE-UHFFFAOYSA-N 329.465 3.926 70 40 EHIB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 218674245 WYBGCGPSGQFOJB-AWEZNQCLSA-N 347.842 3.865 70 40 EHIB COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C)cc2)cc1 218533278 ZTMZAOYWBSJQPW-INIZCTEOSA-N 327.424 3.520 70 40 EHIB CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccccc1C 216823464 AJCQOFWIIIRUKH-UHFFFAOYSA-N 325.368 3.605 70 40 EHIB COc1ccc(CCCNC(=O)CSCc2ccc(C)cc2)cc1 218021201 HIXRTMQHHVKYEA-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](C)[C@@H](C)CO)ccc1O 217013828 BVFKMONTRIVXBO-STQMWFEESA-N 346.423 3.511 70 40 EHIB biogenic,in-vitro COc1ccccc1CCCNC(=O)CSc1ccc(C)cc1 217975490 OLSAHUFNRCILTM-UHFFFAOYSA-N 329.465 3.845 70 40 EHIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OC 218169220 DXHVQAVWKPTFDQ-MRXNPFEDSA-N 341.407 3.736 70 40 EHIB Cc1cc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)c(C)o1 217498400 LBSOIQISIYPXMO-SFHVURJKSA-N 329.421 3.749 70 40 EHIB O=C(Cc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 218532180 VWTNWIBOLSGOCA-UHFFFAOYSA-N 342.870 3.842 70 40 EHIB C[C@](O)(CNC(=O)CSC1CCCC1)c1cc2ccccc2s1 217501054 RJCBPYJETTXORY-SFHVURJKSA-N 349.521 3.901 70 40 EHIB CC[C@@H](NC(=S)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217937721 QVNJJQXXOXKBNM-MRXNPFEDSA-N 348.493 3.528 70 40 EHIB CCCOc1ccccc1CCCNC(=O)COc1ccccc1 217822302 XXUCEKXQIPIFGY-UHFFFAOYSA-N 327.424 3.603 70 40 EHIB CO[C@H](CNC(=O)NCCCc1ccccc1)c1ccccc1Cl 218355320 HJSVGCLYWBMDOG-GOSISDBHSA-N 346.858 3.960 70 40 EHIB COc1cccc2c(OCC(=O)Nc3ccc(C)cc3)cc(C)nc12 217444277 KBESFLGQKLCELP-UHFFFAOYSA-N 336.391 3.878 70 40 EHIB C[C@@](O)(CNC(=O)CSC1CCCC1)c1cc2ccccc2s1 217500966 RJCBPYJETTXORY-GOSISDBHSA-N 349.521 3.901 70 40 EHIB COc1ccccc1CCCNC(=O)CSCc1ccc(C)cc1 218020992 NJVMEAZGJDLYJT-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccc(F)cc1 216894117 LZAFKTYWMRITNR-WEVVVXLNSA-N 341.342 3.549 70 40 EHIB C[C@@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2s1 217521172 FWJWVCZUTZBKAP-MRXNPFEDSA-N 332.450 3.992 70 40 EHIB C[C@@](O)(CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2s1 217498967 SRUWFESMBNDQIN-YVNCXZRQSA-N 337.444 3.938 70 40 EHIB Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)n[nH]1 160403743 QBUPXOYNTIXSHO-LBPRGKRZSA-N 330.432 3.648 70 40 EHIB CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)cc1 216768031 QLOHRELUZKUJGG-OAQYLSRUSA-N 348.450 3.733 70 40 EHIB Cc1ccccc1OCC(=O)NCCCc1ccc(OC(C)C)cc1 217826209 ZHCJJKAKALPOQU-UHFFFAOYSA-N 341.451 3.910 70 40 EHIB Cc1ccc(OCCNC(=O)CSCc2ccccc2C)cc1 218014899 ATBWATQMICILGQ-UHFFFAOYSA-N 329.465 3.732 70 40 EHIB COc1ccc([C@@H](CC(C)C)NC(=O)CC2CCN(C)CC2)cc1 216902150 FVTYOGSEGZGCSW-LJQANCHMSA-N 332.488 3.631 70 40 EHIB COc1cc(C(c2ccc(O)c(OC)c2)[C@H](C)[C@@H](C)CO)ccc1O 217013725 BVFKMONTRIVXBO-QWHCGFSZSA-N 346.423 3.511 70 40 EHIB biogenic,in-vitro CN1CCC(Oc2ccc(NC(=S)Nc3ccccc3)cc2)CC1 216927230 SCUGUSJSOGFYPZ-UHFFFAOYSA-N 341.480 3.969 70 40 EHIB Cc1cc(CCC(=O)NCCSC2CCOCC2)ccc1Cl 217704315 ZLUVTGHNROLYTL-UHFFFAOYSA-N 341.904 3.609 70 40 EHIB O=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1Cl 217884527 CJDQOEALUSVSCW-UHFFFAOYSA-N 349.818 3.834 70 40 EHIB COc1ccccc1CCCNC(=O)[C@H](C)Sc1ccccc1 218056054 UOXHHNFHGYWBLQ-HNNXBMFYSA-N 329.465 3.925 70 40 EHIB COc1ccc(CCCNC(=O)CSc2ccc(C)cc2)cc1 217975674 IBCLOAJWAVTXFT-UHFFFAOYSA-N 329.465 3.845 70 40 EHIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 218676650 BEIREXHKGBINOS-GJZGRUSLSA-N 347.842 3.999 70 40 EHIB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 218684565 JTDLMSSJKXWPBB-MRXNPFEDSA-N 327.424 3.520 70 40 EHIB COc1cccc2cc(C(=O)NCCCc3ccc(F)cc3)oc12 218614959 DQESLDGJDOEVBU-UHFFFAOYSA-N 327.355 3.943 70 40 EHIB COc1ccc(CCCNC(=O)/C=C/c2ccc(C)cc2)cc1OC 218179180 USKRYHDAMBAEJC-ACCUITESSA-N 339.435 3.774 70 40 EHIB COc1cc(CNC(=O)CSc2ccccc2)ccc1OC(C)C 217970444 VGKDTRZRKKOWNJ-UHFFFAOYSA-N 345.464 3.891 70 40 EHIB CCc1nnc(-c2ccc(NC(=O)Nc3c(CC)noc3C)cc2)o1 161451915 BCAQAPYMLQOUSC-UHFFFAOYSA-N 341.371 3.802 70 40 EHIB O=C(NCCSC1CCOCC1)Nc1ccccc1C(F)(F)F 217709029 VLLRYWWAESXSRX-UHFFFAOYSA-N 348.390 3.739 70 40 EHIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2s1 218233215 FNGLXLGHCAYBOC-UHFFFAOYSA-N 341.436 3.777 70 40 EHIB COc1ccccc1CCCNC(=O)CCCOc1ccc(C)cc1 218729774 GSUHIAACVOEMAL-UHFFFAOYSA-N 341.451 3.912 70 40 EHIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cccs2)[nH]n1 217589972 VAVCDPVVWKPDFU-FOSCPWQOSA-N 333.482 3.637 70 40 EHIB O=C(/C=C/c1ccc(F)cc1)NCCCN1CCCc2ccccc21 217916588 ZOMNHFBTBJMNRM-JLHYYAGUSA-N 338.426 3.798 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)CCCOc2ccccc2)cc1 218726324 QMNKCHKIDBPDSS-QGZVFWFLSA-N 327.424 3.738 70 40 EHIB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(OC)c(OC)c1 218169777 XSHOBJRATATWEX-HNNXBMFYSA-N 329.396 3.594 70 40 EHIB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@H]1c1ccccc1F 217630414 ZYUSVBMYXFQIDB-INIZCTEOSA-N 346.383 3.834 70 40 EHIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(Cl)s1 218117531 YCDKKBSQDGJYIA-SNVBAGLBSA-N 341.889 3.504 70 40 EHIB O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cn2)cc1 100012506 PRPZOWBZYLSCTG-UHFFFAOYSA-N 348.605 3.564 70 40 EHIB Cc1ccc([C@@H](NC(=O)CC2CCN(C)CC2)c2ccccc2)cc1 216902236 UJKXGIFSANAUJR-QFIPXVFZSA-N 336.479 3.933 70 40 EHIB CC(C)Oc1cccc(CNC(=O)COc2ccc(Cl)cc2)c1 217829404 CFIWIBVXVQQJKJ-UHFFFAOYSA-N 333.815 3.822 70 40 EHIB Cc1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc1C 216786322 AXIRYAPHQMSZOE-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB O=C(Nc1cccc(Cl)c1)Nc1cnn(CC2CCOCC2)c1 218233850 XUJQNOBAUALTKA-UHFFFAOYSA-N 334.807 3.607 70 40 EHIB Cc1ccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c(C)c1 216787205 MLVNVXZLDRUHIK-UHFFFAOYSA-N 341.436 3.821 70 40 EHIB COc1ccc(S(=O)(=O)Cl)cc1/C=C/C(=O)c1ccccc1 59282006 VNAMYNHUPDWBJN-VQHVLOKHSA-N 336.796 3.519 70 40 EHIB Cc1cccc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1C 216787143 JKSNDQJRXLNNAT-UHFFFAOYSA-N 341.436 3.821 70 40 EHIB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Cl 100027240 AXIAYLBTDUIQMM-UHFFFAOYSA-N 344.841 3.828 70 40 EHIB COc1ccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216713850 SLFSSWRXPXFSHD-HXUWFJFHSA-N 347.418 3.707 70 40 EHIB Cc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1 216647643 CEIZUZXCPLZYKV-CQSZACIVSA-N 337.379 3.658 70 40 EHIB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 218721422 VAXUCCOQLMACEK-QGZVFWFLSA-N 327.424 3.574 70 40 EHIB CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216768300 QNCQANZGQPHHHN-NRFANRHFSA-N 348.450 3.733 70 40 EHIB CCOc1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 217912175 IJYZYZQBOHZICD-NTEUORMPSA-N 327.399 3.987 70 40 EHIB COc1ccc([C@@H]2SCCN2C(=O)NCc2cccs2)cc1 217629403 XGVOHWJGFJQCRC-HNNXBMFYSA-N 334.466 3.714 70 40 EHIB Cc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3ccco3)C2)o1 216647685 CEIZUZXCPLZYKV-AWEZNQCLSA-N 337.379 3.658 70 40 EHIB CC[C@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1 217828500 FQDGCGSBSFXRDB-INIZCTEOSA-N 343.423 3.659 70 40 EHIB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 218686482 VSAFRUPGASMYIY-IRXDYDNUSA-N 327.424 3.654 70 40 EHIB Cc1ccccc1OC[C@H](C)NC(=O)CCCOc1ccccc1 218726216 HYFHBYGATSPTRR-KRWDZBQOSA-N 327.424 3.738 70 40 EHIB COCCCn1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)n1 160587218 UETONSTUPRGEJK-HUUCEWRRSA-N 346.431 3.518 70 40 EHIB O=C1CS[C@@H](c2ccn(-c3ccc(F)cc3)c2)N1Cc1ccco1 216676218 GQRLGQWPWOANMJ-SFHVURJKSA-N 342.395 3.984 70 40 EHIB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1cccc(F)c1 216906753 NTRKVNCGXLLNFF-SOFGYWHQSA-N 341.342 3.549 70 40 EHIB COc1ccccc1CCCNC(=O)c1ccccc1Br 218221054 WUDHUHPPMPYKTP-UHFFFAOYSA-N 348.240 3.820 70 40 EHIB CC(C)Oc1cccc(CCCNC(=O)COc2ccccc2)c1 217821965 QRKGUJFOIZPZGT-UHFFFAOYSA-N 327.424 3.602 70 40 EHIB COc1cc(N)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 217366700 JIWHLIVAURNZSC-UHFFFAOYSA-N 340.301 3.557 70 40 EHIB CN1C(=O)CS[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216705381 HSGSCWMHMUPFPE-AWEZNQCLSA-N 326.343 3.700 70 40 EHIB COC(=O)c1c(C)n(C(=O)COc2cccc(C)c2)c2ccccc12 216722550 VCYVHAKGUZMPGQ-UHFFFAOYSA-N 337.375 3.764 70 40 EHIB CN1CCC(CCNC(=O)/C(=C/c2ccco2)c2ccccc2)CC1 216929828 VIYCJWATLNNQSQ-CAPFRKAQSA-N 338.451 3.668 70 40 EHIB O=C1CS[C@H](c2ccn(-c3ccccc3F)c2)N1Cc1ccco1 216676149 DOHXKWUHKMOHLA-GOSISDBHSA-N 342.395 3.984 70 40 EHIB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCc1ccc(Cl)cc1 217927941 LVHJXOIEIDJFIW-UXBLZVDNSA-N 343.810 3.831 70 40 EHIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccccc1C 216893429 JRBQATUZTNLFCW-CSKARUKUSA-N 337.379 3.718 70 40 EHIB O=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2Cl)cc1 59060117 IGPPZHPZZWJTNL-UHFFFAOYSA-N 335.183 3.986 70 40 EHIB CSc1ccccc1C(=O)NCCCN1CCCc2ccccc21 218194662 IHMRBPPKYHLPET-UHFFFAOYSA-N 340.492 3.981 70 40 EHIB O=C(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 217534137 XNZOFWCSOGDYTL-CYBMUJFWSA-N 345.342 3.500 70 40 EHIB Cn1nc(CN(Cc2ccco2)C(=O)c2cccs2)cc1C1CC1 217895080 SYVFORXCKLIXPA-UHFFFAOYSA-N 341.436 3.795 70 40 EHIB CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc(C)c(C)c1 217947648 SAIXHBRIOUGIJZ-QGZVFWFLSA-N 327.424 3.958 70 40 EHIB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)c1OC 217719963 RNGRJYWSJMEDQN-RYUDHWBXSA-N 336.457 3.594 70 40 EHIB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 217844725 JONJEUAYXJFTSZ-QGZVFWFLSA-N 341.407 3.736 70 40 EHIB O=C1CS[C@@H](c2ccn(-c3ccccc3F)c2)N1Cc1ccco1 216676108 DOHXKWUHKMOHLA-SFHVURJKSA-N 342.395 3.984 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2)cc1 218008423 SGLQHLABFSJRDI-OAHLLOKOSA-N 345.464 3.512 70 40 EHIB O=C(c1ccccc1Cl)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217808029 PVZAOJQNLLZSFR-GFCCVEGCSA-N 345.830 3.695 70 40 EHIB O=S(=O)(Oc1cccc(C(F)(F)F)c1Cl)C(F)(F)F 200883195 GDOROWJEQVPIDN-UHFFFAOYSA-N 328.617 3.587 70 40 EHIB C[C@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 161351226 PYUXVIACMDWSGP-AWEZNQCLSA-N 347.455 3.612 70 40 EHIB C[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2s1 217500845 GHURXTHRWYYPAC-SFHVURJKSA-N 347.386 3.817 70 40 EHIB O=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1cccc(F)c1 217634559 XNMSMAQVDJLLMV-MRXNPFEDSA-N 345.424 3.718 70 40 EHIB CCCCOc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216958473 ODYRAQFHVTXPAT-UHFFFAOYSA-N 336.391 3.608 70 40 EHIB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1 218056219 GDCAAQGRQLVKTO-HNNXBMFYSA-N 329.465 3.925 70 40 EHIB CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cccc2c1N=S=N2 159717239 SJJQGOCSPOMDSP-CYBMUJFWSA-N 348.453 3.580 70 40 EHIB CC[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1 217828416 FQDGCGSBSFXRDB-MRXNPFEDSA-N 343.423 3.659 70 40 EHIB O=C(NCCOc1ccccc1)NCC1(c2ccsc2)CCCC1 217487023 QGCNBTRMUGOMFZ-UHFFFAOYSA-N 344.480 3.938 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)CCSc2ccccc2)cc1 218080027 FCXPJOLJVNIWSX-OAHLLOKOSA-N 345.464 3.761 70 40 EHIB COc1cc(CNC(=O)/C=C/c2ccc(F)cc2)ccc1OC(C)C 217910600 YCPMSXIWJMRDIG-YRNVUSSQSA-N 343.398 3.951 70 40 EHIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1 100013670 LPXRKHPNPOYGMO-UHFFFAOYSA-N 344.394 3.762 70 40 EHIB in-vitro CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)c(C)c1 217841704 OBEOIMLTKQDWAV-LJQANCHMSA-N 327.424 3.958 70 40 EHIB CCCOc1ccccc1CCCNC(=O)c1ccccc1OC 218168116 MQIYVXFPEVGZDM-UHFFFAOYSA-N 327.424 3.847 70 40 EHIB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1Cl 218697953 XMSQAWQHBOEYCS-CYBMUJFWSA-N 335.806 3.995 70 40 EHIB Clc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 216755334 FEVMOVCBJBAQFC-SFHVURJKSA-N 340.814 3.515 70 40 EHIB Cc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217498116 VVFAZWZKANWQSH-LJQANCHMSA-N 325.433 3.847 70 40 EHIB O=C(NCCSC1CCOCC1)C1(c2cccs2)CCCC1 217702169 YJYASLBQNHWRFJ-UHFFFAOYSA-N 339.526 3.588 70 40 EHIB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(Cl)cc1 217831094 SCAXHAIVTQVSSH-AWEZNQCLSA-N 333.815 3.611 70 40 EHIB CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc(C)cc1C 217947828 COGHJBUQAAHKGF-QGZVFWFLSA-N 327.424 3.958 70 40 EHIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Cl)cc1 101314473 VQKGBQWAZKTZKX-UHFFFAOYSA-N 330.192 3.520 70 40 EHIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 217899944 UAPKBOQEWMVOPB-WEKMIXOTSA-N 345.826 3.946 70 40 EHIB Cc1ccc(C)c(OCC(=O)Nc2ccc3nc(N)sc3c2)c1 216786193 YDPBEXNCKQVHMA-UHFFFAOYSA-N 327.409 3.513 70 40 EHIB CCOc1ccc(CCCNC(=O)/C=C/c2ccccc2OC)cc1 217966147 NJHXIWJRZRUEHF-NTCAYCPXSA-N 339.435 3.856 70 40 EHIB CN1C(=O)CS[C@@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216706128 IYKXHYCQFUVMPS-CQSZACIVSA-N 326.343 3.700 70 40 EHIB O=C(CSc1ccccc1)NCCCN1CCCc2ccccc21 217974838 CQLDIIMENFQLEU-UHFFFAOYSA-N 340.492 3.738 70 40 EHIB C[C@@](O)(CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 217986024 WAQMKTNOWYFOQH-MRXNPFEDSA-N 335.812 3.785 70 40 EHIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OC)CC(C)(C)O2 218169043 NHNFKZVRZNPPBV-MRXNPFEDSA-N 341.407 3.736 70 40 EHIB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccc(C)cc1 216893491 XBYBCJUFWFQNOS-CSKARUKUSA-N 337.379 3.718 70 40 EHIB CCCc1nnsc1C(=O)N1CCS[C@H]1c1ccccc1F 217629811 CDYGLJYYXHDJRL-HNNXBMFYSA-N 337.445 3.518 70 40 EHIB COc1ccc(CSCC(=O)NCCCc2ccc(F)cc2)cc1 218112792 UTMGCAMRKRXMNS-UHFFFAOYSA-N 347.455 3.817 70 40 EHIB CCCOc1ccccc1CCCNC(=O)c1ccc(OC)cc1 217843713 DJMXWUPOOYZZMV-UHFFFAOYSA-N 327.424 3.847 70 40 EHIB CN1CCC(CCNC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 216943140 MBZSSCLMAWFWOO-UHFFFAOYSA-N 330.516 3.765 70 40 EHIB COc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)c1 218684463 PEXBZSMLIMTZDX-INIZCTEOSA-N 327.424 3.520 70 40 EHIB O=S(=O)(Cl)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 100013345 UXJUIRATKKZXFB-UHFFFAOYSA-N 337.706 3.820 70 40 EHIB CCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1OCC 218528121 SWNMRSYUEHSSMQ-UHFFFAOYSA-N 347.842 3.996 70 40 EHIB COc1ccccc1CCCNC(=O)CSCc1ccccc1C 218014373 WUPMOQOQWSPMTL-UHFFFAOYSA-N 343.492 3.986 70 40 EHIB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(OC)c(OC)c1 218173423 QRLOOHAJVKQMGF-QGZVFWFLSA-N 327.424 3.904 70 40 EHIB O=C(NCCn1ccc(-c2ccsc2)n1)Nc1c(F)cccc1F 217890299 FTKBYMFGPZNHQW-UHFFFAOYSA-N 348.378 3.712 70 40 EHIB COCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1 160587334 UETONSTUPRGEJK-LSDHHAIUSA-N 346.431 3.518 70 40 EHIB COc1cc(CNC(=S)Nc2ccccc2)ccc1OC(C)C 217934632 ZOWJFJOIBDXCOC-UHFFFAOYSA-N 330.453 3.969 70 40 EHIB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 218686131 NCLIVWHABXWGOQ-QGZVFWFLSA-N 341.451 3.910 70 40 EHIB CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(C)cc1C 217841949 OEJJLTKNTHESSM-IBGZPJMESA-N 327.424 3.958 70 40 EHIB CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)F)cc3)o2)cc1 102132093 VWMNBJGUUAOGCO-UHFFFAOYSA-N 346.383 3.733 70 40 EHIB Cc1cc(C)cc(OCC(=O)N[C@@H](C)COc2ccccc2C)c1 218693595 PCSXSNOCMOPMCW-KRWDZBQOSA-N 327.424 3.574 70 40 EHIB CCC[B-]1(O)c2ccccc2NC(c2ccccc2)=[N+]1c1ccccc1 169795534 PJBYYNCZDFQKRD-UHFFFAOYSA-N 342.251 3.955 70 40 EHIB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 218684635 JTDLMSSJKXWPBB-INIZCTEOSA-N 327.424 3.520 70 40 EHIB